CID 74890142

1487357-03-8

Structural Information

Molecular Formula
C14H19BN2O3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(N=C2)N(C(=O)C3)C
InChI
InChI=1S/C14H19BN2O3/c1-13(2)14(3,4)20-15(19-13)10-6-9-7-11(18)17(5)12(9)16-8-10/h6,8H,7H2,1-5H3
InChIKey
GGJDFBYJGGAPOY-UHFFFAOYSA-N
Compound name
1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-pyrrolo[2,3-b]pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

274.14886 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.156136 156.9
[M+Na]+ 297.138078 168.3
[M-H]- 273.141584 164.4
[M+NH4]+ 292.182683 177.3
[M+K]+ 313.112018 167.6
[M+H-H2O]+ 257.146120 151.9
[M+HCOO]- 319.147061 174.5
[M+CH3COO]- 333.162711 170.6
[M+Na-2H]- 295.123526 159.9
[M]+ 274.14831142 161.1
[M]- 274.14940858 161.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe